Phase behavior of patchy colloids confined in patchy porous media

Kalyuzhnyi, Yurij V. (author), Patsahan, Taras (author), Holovko, Myroslav (author), Cummings, Peter T. (author)

A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy particles are studied. The media are formed by randomly distributed hard-sphere obstacles fixed in space and decorated by a certain number of off-center square-well sites. The properties of the fluid of patchy particles, represented by the fluid of hard spheres each bearing a set of the off-center square-well sites, are studied using an appropriate combination of the scaled particle theory for the porous media, Wertheim's thermodynamic perturbation theory, and Flory–Stockmayer theory. To assess the accuracy of the theory a set of computer simulations have been performed. In general, predictions of the theory appeared to be in good agreement with the computer simulation results. Confinement and competition between the formation of bonds connecting the fluid particles, and connecting fluid particles and obstacles of the matrix, gave rise to a re-entrant phase behavior with three critical points and two separate regions of the liquid–gas phase coexistence.

• Language: English
• Keywords: colloids, porous media, model
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Publication status: Published
• Publication version: Version of Record
• Year: 2024
• Number of pages: Str. 4668-4677
• Numbering: Vol. 16, no. 9
• PID: 20.500.12556/RUL-160082
• ISSN: 2040-3364
• eISSN: 2040-3372
• DOI: 10.1039/D3NR02866F
• Publication date in RUL: 16.08.2024

Record is a part of a journal

• Title: Nanoscale
• Shortened title: Nanoscale
• Publisher: Royal Society of Chemistry
• ISSN: 2040-3364
• COBISS.SI-ID: 23642407

Licences

• License: CC BY 3.0, Creative Commons Attribution 3.0 Unported
• Link: https://creativecommons.org/licenses/by/3.0/deed.en
• Description: You are free to reproduce and redistribute the material in any medium or format. You are free to remix, transform, and build upon the material for any purpose, even commercially. You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use. You may not apply legal terms or technological measures that legally restrict others from doing anything the license permits.

Secondary language

• Language: Slovenian
• Keywords: koloidi, porozni medij, model

Projects

• Funder: Other - Other funder or multiple funders
• Project number: 2020.02/0317
• Name: MSCA4Ukraine project